YMoO4F
YMoO4F is a metastable insulating oxyfluoride material composed of yttrium, molybdenum, oxygen, and fluorine.
About YMoO4F
YMoO4F is a complex oxyfluoride characterized by its wide-gap insulating electronic nature. As a metastable phase, it represents a unique structural arrangement of yttrium, molybdenum, oxygen, and fluorine atoms that requires specific synthesis conditions to stabilize.
This compound is of significant interest in materials science due to the interplay between the transition metal molybdenum and the surrounding anionic framework. Its insulating behavior and structural complexity make it a subject of study for researchers exploring new functional materials with tailored electronic properties.
Key Properties
Cross-validated computational properties for YMoO4F, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for YMoO4F, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.75 | 0.0253 | -8.555 | 4.36 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.40 |
| No. 0 | unknown | — | — | — | 1.14 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where YMoO4F is used.
Frequently Asked Questions
Common questions about YMoO4F, answered from cross-validated data.
What is YMoO4F?
YMoO4F is a metastable insulating oxyfluoride material composed of yttrium, molybdenum, oxygen, and fluorine.
What is YMoO4F used for?
What is the band gap of YMoO4F?
Is YMoO4F a metal, semiconductor, or insulator?
Is YMoO4F thermodynamically stable?
What is the crystal structure of YMoO4F?
What is the density of YMoO4F?
How many polymorphs of YMoO4F are known?
What elements does YMoO4F contain?
Where does the data for YMoO4F come from?
How It Compares
As a relatively rare oxyfluoride, YMoO4F occupies a distinct niche in materials research, serving as a primary example of how incorporating fluorine into a metal-oxide lattice can influence thermodynamic stability and electronic character.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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